19 Commits

Author	SHA1	Message	Date
Brian Kelley	8a66860d74	Updated docs	2015-09-10 11:34:41 -04:00
Brian Kelley	5f62a5f62f	Properly use shared_ptrs	2015-09-09 16:49:08 -04:00
Brian Kelley	7240f92ab5	Add First pass at Java FilterCatalog wrapper	2015-09-03 14:55:06 +02:00
Greg Landrum	a5548e6e26	initial support for an explicit MolDraw2DSVG object; bring the csharp wrappers somewhat up-to-date	2015-02-04 07:16:30 +01:00
Greg Landrum	c8582645b2	Merge branch 'master' into fmcs_port_21Feb2014	2014-08-10 07:29:09 +02:00
Greg Landrum	4fc6a95ae9	"Fix" a problem with modern versions of boost and old versions of SWIG	2014-08-10 07:28:37 +02:00
Greg Landrum	c37ddd908e	first pass at adding fmcs to the swig wrapper (untested)	2014-08-10 07:08:58 +02:00
Greg Landrum	76188798a2	Fixes #285	2014-06-27 08:02:53 +02:00
Greg Landrum	0639f0c3d4	Merge branch 'PDB_29September2013'	2013-10-16 05:35:12 +02:00
Greg Landrum	40908a43da	mmff into SWIG wrapper. first tests ... note: these changes remove some direct ff-manipulation functionality that was present previously	2013-10-12 16:24:18 +02:00
Greg Landrum	21393521a3	first java wrappers of pdb stuff	2013-10-11 18:06:09 +02:00
Greg Landrum	dafff3bcaf	stop including our own std_vector.i, instead just extend the one provided with swig; duplicate the std_list file into the csharp wrapper in case it ends up needing to be different	2012-11-21 16:11:16 +00:00
Greg Landrum	3a3b582d28	clean up + add support for D and T in molecular formula	2012-07-27 06:16:45 +00:00
Greg Landrum	2575bfbfb6	initial addition of avalontoolkit support	2011-12-23 06:17:39 +00:00
Greg Landrum	c6f08a7522	add support for a diversity picker to java wrapper	2011-10-08 12:59:40 +00:00
Greg Landrum	c757ea64b6	add support for replacements in smiles and smarts. ... remove SmilesToMol and SmartsToMol from RDKFuncs (they leaked) remove useless wrapper file (SmilesParseOps.i).	2011-07-07 05:45:31 +00:00
Greg Landrum	acbc80ef73	sync with trunk. add inchi support to java wrapper.	2011-06-29 04:42:05 +00:00
Greg Landrum	800a4c2149	additional functionality required by the knime nodes	2011-04-12 10:07:52 +00:00
Greg Landrum	c7ef21088b	add initial version of new swig wrappers	2011-04-07 05:22:00 +00:00